| SpectraBase Compound ID | DpePd7uNk0S |
|---|---|
| InChI | InChI=1S/C22H24Br2N10O2.2ClH/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15;;/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34);2*1H/t11-,12-,17-,18-;;/m1../s1 |
| InChIKey | SFGZCXAQLPJJKC-WUYIMCQSSA-N |
| Mol Weight | 693.23 g/mol |
| Molecular Formula | C22H26Br2Cl2N10O2 |
| Exact Mass | 689.998402 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aAUXzD2bvI |
|---|---|
| Name | SCEPTRIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26Br2Cl2N10O2 |
| InChI | InChI=1S/C22H24Br2N10O2.2ClH/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15;;/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34);2*1H/t11-,12-,17-,18-;;/m1../s1 |
| InChIKey | SFGZCXAQLPJJKC-WUYIMCQSSA-N |
| Literature Reference Author | X.SHEN,T.L.PERRY,C.D.DUNBAR,M.KELLY-BORGES,M.T.HAMANN |
| Literature Reference Citation | J.NAT.PROD.,61,1302(1998) |
| Literature Reference DOI | 10.1021/np980129a |
| Solvent | D2O |
| Source File Reference | UWSF1401 |